[gmx-users] problem with do_dssp

[Chiara Bello]

Dear gromacs users,

I am using gromacs 5.1.1 version and I have tried to perform secondary structure analysis using do_dssp, but I obtained a fatal error showing use -ver option . Even when I tried to use -ver 2 in the command line the same error appeared.

I had this problem with both the 2.2.0 and 2.2.1 dssp versions. Note that in each cases I set an environment variable DSSP pointing to the dssp executable.

Moreover I tried running dssp directly and it it run properly but I'd prefer to run it using gromacs to obtain the output in xpm format. How should I do?

Regards,

Chiara